3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one

C8H11N3O — CID 165170497

IUPAC3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one
SMILES[H]/N=C/c1c(NC)cc(C)[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-5-3-7(10-2)6(4-9)8(12)11-5/h3-4,9H,1-2H3,(H2,10,11,12)/b9-4+
InChIKeyTZMUPGATECVJEX-RUDMXATFSA-N
MW165.20 g/mol
LogP0.72
Rot. Bonds2

About 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one

3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one (PubChem CID 165170497) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one
PubChem CID165170497
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one
SMILES[H]/N=C/c1c(NC)cc(C)[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-5-3-7(10-2)6(4-9)8(12)11-5/h3-4,9H,1-2H3,(H2,10,11,12)/b9-4+
InChIKeyTZMUPGATECVJEX-RUDMXATFSA-N
XLogP0.72
TPSA68.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-3-(iodomethyl)-6-methyl-1H-pyridin-2-one
CID 68209971
4-(ethylamino)-3,6-dimethyl-1H-pyridin-2-one
CID 89427682
3-(Aminomethyl)-6-methyl-4-(methylamino)pyridin-2-ol
CID 89580726
3-(aminomethyl)-6-methyl-4-(methylamino)pyridin-2(1H)-one hydrochloride
CID 117889649
N-[(E)-but-2-en-2-yl]-2-methanimidoylprop-2-enamide
CID 129171349
4-Amino-3-methanimidoyl-1-methoxy-6-methylpyridin-2-one
CID 132033869
4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078769
4-chloro-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078771
4-amino-3-methanimidoyl-1H-pyridin-2-one
CID 137277680
4-amino-3-(ethyliminomethyl)-1H-pyridin-2-one
CID 137277728
4-methanimidoyl-5-(methylamino)-1H-pyridin-2-one
CID 137400069
(4-amino-2-oxo-1H-pyridin-3-yl)methylideneazanium
CID 142346346

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one?
The IUPAC name of 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one (CID 165170497) is 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one is [H]/N=C/c1c(NC)cc(C)[nH]c1=O.
What is the InChIKey of 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one?
The InChIKey is TZMUPGATECVJEX-RUDMXATFSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-3-7(10-2)6(4-9)8(12)11-5/h3-4,9H,1-2H3,(H2,10,11,12)/b9-4+.
What are the key properties of 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one?
3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-6-methyl-4-(methylamino)-1H-pyridin-2-one is sourced from PubChem (CID 165170497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).